4-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethoxy]-3-methoxy-benzonitrile CAS Name: 4-[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethoxy]-3-methoxybenzonitrile IUPAC Name: 4-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzonitrile Traditional Name: 4-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethoxy]-3-methoxy-benzonitrile Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C#N)OC)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C#N)OC)F

InChI

InChI=1S/C22H22FN3O4/c1-15(27)17-4-5-19(18(23)12-17)25-7-9-26(10-8-25)22(28)14-30-20-6-3-16(13-24)11-21(20)29-2/h3-6,11-12H,7-10,14H2,1-2H3